2,6,7-trichloro-3-(2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl)imidazo[1,2-a]pyridine

C14H13Cl3N2O3 — CID 4867510

IUPAC2,6,7-trichloro-3-(2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl)imidazo[1,2-a]pyridine
SMILESCC1(C)OC2COC(c3c(Cl)nc4cc(Cl)c(Cl)cn34)C2O1
InChIInChI=1S/C14H13Cl3N2O3/c1-14(2)21-8-5-20-12(11(8)22-14)10-13(17)18-9-3-6(15)7(16)4-19(9)10/h3-4,8,11-12H,5H2,1-2H3
InChIKeyOZBCXUGRKCYZGQ-UHFFFAOYSA-N
MW363.63 g/mol
LogP3.89
Rot. Bonds1

About 2,6,7-trichloro-3-(2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl)imidazo[1,2-a]pyridine

2,6,7-trichloro-3-(2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl)imidazo[1,2-a]pyridine (PubChem CID 4867510) has the molecular formula C14H13Cl3N2O3 and a molecular weight of 363.63 g/mol. Its IUPAC name is 2,6,7-trichloro-3-(2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2,6,7-trichloro-3-(2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl)imidazo[1,2-a]pyridine
PubChem CID4867510
Molecular FormulaC14H13Cl3N2O3
Molecular Weight363.63 g/mol
Exact Mass362.00
IUPAC Name2,6,7-trichloro-3-(2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl)imidazo[1,2-a]pyridine
SMILESCC1(C)OC2COC(c3c(Cl)nc4cc(Cl)c(Cl)cn34)C2O1
InChIInChI=1S/C14H13Cl3N2O3/c1-14(2)21-8-5-20-12(11(8)22-14)10-13(17)18-9-3-6(15)7(16)4-19(9)10/h3-4,8,11-12H,5H2,1-2H3
InChIKeyOZBCXUGRKCYZGQ-UHFFFAOYSA-N
XLogP3.89
TPSA44.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.63
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,6,7-trichloro-3-(2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl)imidazo[1,2-a]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,6,7-trichloro-3-(2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl)imidazo[1,2-a]pyridine?
The IUPAC name of 2,6,7-trichloro-3-(2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl)imidazo[1,2-a]pyridine (CID 4867510) is 2,6,7-trichloro-3-(2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 2,6,7-trichloro-3-(2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl)imidazo[1,2-a]pyridine?
The canonical SMILES for 2,6,7-trichloro-3-(2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl)imidazo[1,2-a]pyridine is CC1(C)OC2COC(c3c(Cl)nc4cc(Cl)c(Cl)cn34)C2O1.
What is the InChIKey of 2,6,7-trichloro-3-(2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl)imidazo[1,2-a]pyridine?
The InChIKey is OZBCXUGRKCYZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl3N2O3/c1-14(2)21-8-5-20-12(11(8)22-14)10-13(17)18-9-3-6(15)7(16)4-19(9)10/h3-4,8,11-12H,5H2,1-2H3.
What are the key properties of 2,6,7-trichloro-3-(2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl)imidazo[1,2-a]pyridine?
2,6,7-trichloro-3-(2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl)imidazo[1,2-a]pyridine has a molecular weight of 363.63 g/mol, XLogP of 3.89, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,7-trichloro-3-(2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 4867510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).